[(3-methylthiophene-2-carbonyl)amino]thiourea

C7H9N3OS2 — CID 65214886

IUPAC[(3-methylthiophene-2-carbonyl)amino]thiourea
SMILESCc1ccsc1C(=O)NNC(N)=S
InChIInChI=1S/C7H9N3OS2/c1-4-2-3-13-5(4)6(11)9-10-7(8)12/h2-3H,1H3,(H,9,11)(H3,8,10,12)
InChIKeyJFJJLCAONVZQBA-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.53
Rot. Bonds1

About [(3-methylthiophene-2-carbonyl)amino]thiourea

[(3-methylthiophene-2-carbonyl)amino]thiourea (PubChem CID 65214886) has the molecular formula C7H9N3OS2 and a molecular weight of 215.30 g/mol. Its IUPAC name is [(3-methylthiophene-2-carbonyl)amino]thiourea.

Molecular Properties

Compound Name[(3-methylthiophene-2-carbonyl)amino]thiourea
PubChem CID65214886
Molecular FormulaC7H9N3OS2
Molecular Weight215.30 g/mol
Exact Mass215.02
IUPAC Name[(3-methylthiophene-2-carbonyl)amino]thiourea
SMILESCc1ccsc1C(=O)NNC(N)=S
InChIInChI=1S/C7H9N3OS2/c1-4-2-3-13-5(4)6(11)9-10-7(8)12/h2-3H,1H3,(H,9,11)(H3,8,10,12)
InChIKeyJFJJLCAONVZQBA-UHFFFAOYSA-N
XLogP0.53
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

[(3-methylthiophene-2-carbonyl)amino]urea
CID 63001953
[(3-iodothiophene-2-carbonyl)amino]thiourea
CID 130576836
N'-(3-methylthiophene-2-carbonyl)pyridine-4-carbohydrazide
CID 7677905
N-(aminomethyl)-3-methylthiophene-2-carboxamide
CID 169257485
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methylthiophene-2-carboxamide
CID 61118833
N-(2-carbamothioyl-3-methylphenyl)-3-methylthiophene-2-carboxamide
CID 107805808
2-(3-methylthiophen-2-yl)-2-oxoacetamide
CID 116924521
1-(2,4-dichlorophenyl)-3-[(3-methylthiophene-2-carbonyl)amino]thiourea
CID 2206586
N-(4-hydroxyphenyl)-3-methylthiophene-2-carboxamide
CID 28739515
2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
CID 24708997
3-methyl-N'-[2-(2-methylphenoxy)acetyl]thiophene-2-carbohydrazide
CID 7809007
3-methyl-N-phenylmethoxythiophene-2-carboxamide
CID 30796107

Frequently Asked Questions

What is the IUPAC name of [(3-methylthiophene-2-carbonyl)amino]thiourea?
The IUPAC name of [(3-methylthiophene-2-carbonyl)amino]thiourea (CID 65214886) is [(3-methylthiophene-2-carbonyl)amino]thiourea.
What is the SMILES notation for [(3-methylthiophene-2-carbonyl)amino]thiourea?
The canonical SMILES for [(3-methylthiophene-2-carbonyl)amino]thiourea is Cc1ccsc1C(=O)NNC(N)=S.
What is the InChIKey of [(3-methylthiophene-2-carbonyl)amino]thiourea?
The InChIKey is JFJJLCAONVZQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS2/c1-4-2-3-13-5(4)6(11)9-10-7(8)12/h2-3H,1H3,(H,9,11)(H3,8,10,12).
What are the key properties of [(3-methylthiophene-2-carbonyl)amino]thiourea?
[(3-methylthiophene-2-carbonyl)amino]thiourea has a molecular weight of 215.30 g/mol, XLogP of 0.53, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-methylthiophene-2-carbonyl)amino]thiourea is sourced from PubChem (CID 65214886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).